TA-02 - ≥99% , CAS No.1784751-19-4

CAS: 1784751-19-4 Cat. No.: T413643 Summenformel: C₂₀H₁₃F₂N₃ Molekulargewicht: 333.33 PubChem CID: 91691130

QUALITÄT & REINHEIT ≥99%

Synonyms

Pyridine,4-​[2-​(2-​fluorophenyl)​-​4-​(4-​fluorophenyl)​-​1H-​imidazol-​5-​yl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

TA-02 TA-02 is a p38 MAPK inhibitor with IC50 of 20 nM. TA-02 especially inhibits TGFBR-2 .

Targets

TGFβRII ; p38 MAPK (Cell-free assay) ; 20 nM

Spezifikationen

Synonyme

Pyridine,4-​[2-​(2-​fluorophenyl)​-​4-​(4-​fluorophenyl)​-​1H-​imidazol-​5-​yl]​-

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

TA-02 is a p38 MAPK inhibitor with IC50 of 20 nM. TA-02 especially inhibits TGFBR-2.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Produkteigenschaften

ALogP

4.659

HBD-Zahl

1

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

504772653

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772653

Kanonisches Lächeln

C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F

IUPAC Name

4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

InChIKey

QIFJOFNVIVQRNJ-UHFFFAOYSA-N

INCHI

1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)

Isomere SMILES

C1=CC=C(C(=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F

PubChem CID

91691130

Molekulargewicht

333.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: 2,4,5-trisubstituted imidazoles Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 67 mg/mL (201.0 mM); Ethanol: 3 mg/mL (9.0 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 67
• DMSO (mM) Maximale Löslichkeit: 201.0020100201
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 333.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 333.108 Da
• Monoisotopic Mass: 333.108 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1784751-19-4, the molecular formula is C2OH13F2N3, and the molecular weight is 333.33 g/mol. InChIKey QIFJOFNVIVQRNJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.